CAS 70987-80-3

4-[(2S)-2-Oxiranylmethoxy]benzonitrile

Description:

4-[(2S)-2-Oxiranylmethoxy]benzonitrile, with the CAS number 70987-80-3, is a chemical compound characterized by its unique structure that includes a benzonitrile moiety and an epoxide group. The presence of the oxirane (epoxide) ring contributes to its reactivity, making it a potential intermediate in organic synthesis. This compound typically exhibits properties associated with aromatic nitriles, such as moderate polarity and the ability to participate in nucleophilic reactions due to the electron-withdrawing nature of the nitrile group. The stereochemistry indicated by the (2S) designation suggests that the compound has a specific three-dimensional arrangement, which can influence its biological activity and reactivity. Additionally, the methoxy group enhances solubility in organic solvents and may affect the compound's interaction with biological systems. Overall, 4-[(2S)-2-Oxiranylmethoxy]benzonitrile is of interest in synthetic organic chemistry and may have applications in pharmaceuticals or agrochemicals due to its structural features.

Formula: C₁₀H₉NO₂

InChI: InChI=1S/C10H9NO2/c11-5-8-1-3-9(4-2-8)12-6-10-7-13-10/h1-4,10H,6-7H2/t10-/m1/s1

InChI key: InChIKey=WREXVDPOLDOXJL-SNVBAGLBSA-N

SMILES: C(OC1=CC=C(C#N)C=C1)[C@@H]2CO2

Synonyms:

• 4-((2S)-Oxiranylmethyloxy)benzonitrile
• Benzonitrile, 4-[(2S)-2-oxiranylmethoxy]-
• 4-[(2S)-2-Oxiranylmethoxy]benzonitrile
• Benzonitrile, 4-(oxiranylmethoxy)-, (S)-
• Benzonitrile, 4-[(2S)-oxiranylmethoxy]-